[2-(diphenylamino)-2-oxidanylidene-ethyl] 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(diphenylamino)-2-oxidanylidene-ethyl] 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(N-phenylanilino)ethyl] 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid [2-oxo-2-(N-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-phenylanilino)ethyl] 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid [2-keto-2-(N-phenylanilino)ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-16(24)22-19(13-14-28-2)21(26)27-15-20(25)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-15H2,1-2H3,(H,22,24)